SCHEMBL5992633

SCHEMBL5992633

Cc1cc(C)cc(NCCC(=O)O)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.53
KDM4E B2RXH2 3/20 0.53
POLB P06746 1/20 0.50
THRB P10828 1/20 0.48
ALDH1A1 P00352 4/20 0.46
HSD17B10 Q99714 3/20 0.46
HTT P42858 2/20 0.46
MEN1 O00255 2/20 0.46
MAPT P10636 2/20 0.46
TSHR P16473 1/20 0.46
CASP1 P29466 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
L3MBTL1 Q9Y468 2/20 0.43
HDAC3 O15379 1/20 0.43
HDAC4 P56524 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC7 Q8WUI4 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC10 Q969S8 1/20 0.43
HDAC11 Q96DB2 1/20 0.43

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL27672981 0.87 FABP4 (0.53) KMT2AKDM4ETHRBALDH1A1HDAC3
SCHEMBL27652940 0.85 FABP4 (0.51) KMT2AKDM4EPOLBTHRBALDH1A1
SCHEMBL28326333 0.84 THRB (0.48) KMT2AKDM4ETHRBHTTMEN1
SCHEMBL4864708 0.82 THRB (0.47) KMT2APOLBTHRBHTTMEN1
SCHEMBL3199664 0.82 MAPT (0.67) KMT2APOLBALDH1A1HSD17B10HTT
SCHEMBL3214608 0.80 POLB (0.64) KMT2AKDM4EPOLBALDH1A1HSD17B10
SCHEMBL13603822 0.79 KDM4E (0.45) KMT2AKDM4ETHRBALDH1A1HTT
SCHEMBL4865806 0.78 TOP2A (0.48) KMT2AKDM4EPOLBTHRBALDH1A1
SCHEMBL4740356 0.78 THRB (0.64) POLBTHRBALDH1A1HTTMAPT
SCHEMBL4962925 0.77 THRB (0.46) KMT2APOLBTHRBHTTMEN1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE38970-E1 Indolyl or indolinyl derivatives and medicinal use thereof as ACAT or lipid peroxidation inhibitors KYOTO PHARMACEUTICAL INDUSTRIES, LTD. (JP) 2006-02-07 US disclosed
EP-0866059-B1 NOVEL HETEROCYCLIC DERIVATIVES AND MEDICINAL USE THEREOF KYOTO PHARMA IND (JP) 2001-12-05 EP disclosed
US-6200988-B1 TETRAHYDROQUINOLINE DERIVATES; INHIBITORS OF ACYL COA:CHOLESTEROL ACYLTRANSFERASE AND LIPOPEROXIDATION; ARTERIOSCLEROSIS: CARDIOVASCULAR AND BRAIN DISORDERS KYOTO PHARMACEUTICAL INDUSTRIES, LTD. (JP) 2001-03-13 US disclosed
US-6063806-A CARBOXY ACID OR ESTER DERIVATIVES OF INDOLINE OR INDOLE KYOTO PHARMACEUTICAL INDUSTRIES, LTD. (JP) 2000-05-16 US disclosed
EP-0866059-A1 NOVEL HETEROCYCLIC DERIVATIVES AND MEDICINAL USE THEREOF Kyoto Pharmaceutical Industries, Ltd. (JP) 1998-09-23 EP disclosed